Table 1.
Unit | C/H no. | δH (J in Hz) | δC, mult. | HMBCa |
---|---|---|---|---|
Leu | 1 | 172.0, qC | ||
2 | 4.67, ddd (10.0, 9.5, 4.5) | 49.8, CH | ||
3 | 1.70, m | 40.9, CH2 | 2, 4 | |
1.49, m | ||||
4 | 1.58, m | 24.8, CH | ||
5 | 0.86, d (6.5) | 23.6, CH3 | 3, 4, 6 | |
6 | 0.89, d (6.5) | 21.7, CH3 | 3, 4, 5 | |
NH | 7.62, d (9.5) | 1 (Glu) | ||
Glu | 1 | 171.6, qC | ||
2 | 4.51, ddd (9.5, 9.0, 4.5) | 53.0, CH | 1, 4 | |
3 | 2.53, m | 27.0, CH2 | 5 | |
2.14, m | ||||
4 | 2.54, m | 31.1, CH2 | 5 | |
2.42, m | ||||
5 | 175.2, qC | |||
OH | not observed | |||
NH | 7.54, d (9.0) | 1 (Abu) | ||
Abu | 1 | 164.0, qC | ||
2 | 130.9, qC | |||
3 | 6.54, q (7.0) | 129.1, CH | 1 | |
4 | 1.76, d (7.0) | 12.7, CH3 | 1, 2, 3 | |
NH | 10.16, s | 1 (Ala) | ||
Ala | 1 | 175.8, qC | ||
2 | 4.33, qd (6.5, 2.5) | 50.7, CH | 1, 1 (Thr) | |
3 | 1.38, d (6.5) | 16.8, CH3 | 1, 2 | |
NH | 8.83, d (2.5) | 1 (Thr) | ||
Thr | 1 | 170.3, qC | ||
2 | 4.74, dd (8.5, 3.0) | 55.8, CH | 1, 1 (Tyr) | |
3 | 5.37, qd (6.3, 3.0) | 72.9, CH | 4 | |
4 | 1.18, d (6.3) | 16.1, CH3 | 2, 3 | |
NH | 7.90, d (8.5) | 1 (Tyr) | ||
Tyr | 1 | 172.7, qC | ||
2 | 4.78, ddd (10.0, 9.5, 4.5) | 55.9, CH | 1, 4 | |
3 | 3.07, dd (−14.0, 4.5) | 38.1, CH2 | 2, 4, 5/9 | |
2.82, dd (−14.0, 10.0) | ||||
4 | 128.6, qC | |||
5/9 | 7.12, d (8.5) | 131.1, CH | 7 | |
6/8 | 6.70, d (8.5) | 115.6, CH | 7 | |
7 | 157.1, qC | |||
OH | 9.34, s | 7 | ||
NH | 8.10, br | 1 (Val) | ||
Val | 1 | 171.9, qC | ||
2 | 4.29, dd (9.0, 7.0) | 59.3, CH | 1, 3, 4, 5 | |
3 | 2.01, m | 31.6, CH | 2, 4, 5 | |
4 | 0.75, d (6.5) | 19.7, CH3 | 2, 3 | |
5 | 0.72, d (6.5) | 18.4, CH3 | 2, 3 | |
NH | 7.26, brd (7.0) | 1 (Tig) | ||
Tig | 1 | 169.3, qC | ||
2 | 132.7, qC | |||
3 | 6.42, qq (7.0, 1.0) | 130.4, CH | 1 | |
4 | 1.71, br d (7.0) | 13.8, CH3 | 2, 3 | |
5 | 1.80, br s | 12.5, CH3 | 1, 2, 3 |
Protons showing long-range correlation with indicated carbon.